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1.
Environ Sci Technol ; 2021 Oct 11.
Artigo em Inglês | MEDLINE | ID: mdl-34633800

RESUMO

Ru-based catalysts for catalytic combustion of high-toxicity Cl-containing volatile organic compounds are inclined to produce Cl2 instead of ideal HCl due to the Deacon reaction. We herein reported that the three-dimensionally ordered macroporous (3DOM) WOx-supported RuP nanocatalyst greatly improved HCl selectivity (at 400 °C, increased from 66.0% over Ru/3DOM WOx to 96.4% over RuP/3DOM WOx) and reduced chlorine-containing byproducts for 1,2-dichloroethane (1,2-DCE) oxidation. P-doping enhanced the number of structural hydroxyl groups and Brønsted acid sites. The isotopic 1,2-DCE temperature-programmed desorption experiment in the presence of H218O indicated the generation of a new active oxygen species 16O18O that participated in the reaction. Generally, P-doping and H2O introduction could promote the exchange reaction between Cl and hydroxyl groups, rather than oxygen defects, and then benefit the production of HCl and reduce the generation of other chlorine species or Cl2, via the reaction processes of C2H3Cl → alcohol → aldehyde → carboxylic acids.

2.
Front Endocrinol (Lausanne) ; 12: 736972, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34621243

RESUMO

Background: Metabolic syndrome (MetS) has a potential connection with thyroid disease, but its relationship with thyroid nodules (TNs) is still controversial. This study aims to clarify the relationship between MetS and TNs, and this relationship in the subgroup of gender. Methods: The recent nationwide cross-sectional study called Thyroid Disorders, Iodine Status, and Diabetes Epidemiological survey provided the newest data on the relationship between MetS and TNs from China and included 56,729 subjects. We also researched related literature in PubMed, EMBASE, Cochrane Library, and MEDLINE until Oct 30, 2020, in order to perform a meta-analysis. The relevant articles were examined, and the eligible studies were included to assess the association between MetS and TNs. Results: The meta-analysis included 15 studies (involving 468,845 subjects). Of these, 14 studies were from the databases, and one study was this cross-sectional data. The meta-analysis showed that TNs were associated with a higher prevalence of MetS (OR=1.87, 95% CI: 1.44-2.45) and the components of MetS, including central obesity (OR=1.41, 95% CI: 1.15-1.72), hypertriglyceridemia (OR=1.13, 95% CI: 1.10-1.15), low high-density lipoprotein cholesterolemia (OR=1.11, 95% CI: 1.02-1.20), abnormal blood pressure (OR=1.68, 95% CI: 1.62-1.75), and hyperglycemia (OR=1.59, 95% CI: 1.46-1.74). Central obesity displayed gender differences, being a risk factor in males (OR=1.38, 95% CI: 1.02-1.86) but not in females (OR=1.47, 95% CI: 0.97-2.23). Conclusion: TNs were indeed associated with a higher prevalence of MetS. In addition, its component diseases, such as central obesity, hypertriglyceridemia, abnormal blood pressure, and hyperglycemia, were also associated with TNs. Females with MetS or its components had a higher risk of suffering from TNs than males.

3.
Nano Lett ; 2021 Oct 04.
Artigo em Inglês | MEDLINE | ID: mdl-34605657

RESUMO

The van der Waals (vdW) heterostructures have rich functions and intriguing physical properties, which has attracted wide attention. Effective control of excitons in vdW heterostructures is still urgent for fundamental research and realistic applications. Here, we successfully achieved quantitative tuning of the intralayer exciton of monolayers and observed the transition from intralayer excitons to interlayer excitons in WS2/MoSe2 heterostructures, via hydrostatic pressure. The energy of interlayer excitons is in a "locked" or "superstable" state, which is not sensitive to pressure. The first-principles calculation reveals the stronger interlayer interaction which leads to enhanced interlayer exciton behavior in WS2/MoSe2 heterostructures under external pressure and reveals the robust peak of interlayer excitons. This work provides an effective strategy to study the interlayer interaction in vdW heterostructures and reveals the enhanced interlayer excitons in WS2/MoSe2, which could be of great importance for the material and device design in various similar quantum systems.

4.
J Org Chem ; 2021 Oct 13.
Artigo em Inglês | MEDLINE | ID: mdl-34643389

RESUMO

Two novel double π-extended [n]helicene (n = 5, 6) derivatives (7b and 9) including pentagonal rings have been synthesized and characterized. Both of them have three isomers containing two enantiomers (P6), (M6), and a diastereoisomer in a meso form (P,M). X-ray single crystal analyses suggest that molecules 7b and 9 exhibit offset packing models of (P6,P5)- and (M6,M5)-isomers. Optical resolution of the resultant compound 7b was finished, and their chiroptical properties, as well as the DFT calculations, were also examined.

5.
Medicine (Baltimore) ; 100(35): e26821, 2021 Sep 03.
Artigo em Inglês | MEDLINE | ID: mdl-34477119

RESUMO

ABSTRACT: Although reminiscence therapy alleviates mental illness and improves quality of life in neurocognitive disorders patients, little study reports its clinical application in cancer patients. Thus, this study aimed to explore the effect of reminiscence therapy on anxiety, depression, quality of life, and survival profile in postoperative gastric cancer patients.One hundred sixty surgical gastric cancer patients were enrolled in this randomized, controlled study, then randomly assigned to Reminiscence therapy group (N = 80) and Control group (N = 80) as 1:1 ratio. The evaluation was carried at baseline (M0), month 3 (M3), month 6 (M6), month 9 (M9), and month 12 (M12) after intervention by Hospital Anxiety and Depression Scale and European Organization for Research and Treatment of Cancer quality of life Questionnaire-Core 30 (QLQ-C30). Furthermore, disease-free survival and overall survival were analyzed using follow-up data.Reminiscence therapy decreased HADS for anxiety score at M6, M9, and M12, decreased anxiety rate at M9 and M12 compared to control care; while it did not affect HADS for depression score or depression rate at any time-point. Also, reminiscence therapy raised QLQ-C30 global health status score at M12, reduced QLQ-C30 symptoms score at M6, while did not affect QLQ-C30 function score at any time-point compared to control care. Reminiscence therapy did not affect disease-free survival and overall survival, either. Further subgroup analyses (divided by age and gender) observed that the effect of reminiscence therapy seemed more obvious in patients with age ≤60 years and male patients.Reminiscence therapy exhibits alleviation of anxiety and improvement of quality of life in postoperative gastric cancer patients.


Assuntos
Ansiedade/terapia , Psicoterapia de Grupo/normas , Qualidade de Vida/psicologia , Neoplasias Gástricas/complicações , Idoso , Ansiedade/psicologia , Feminino , Humanos , Masculino , Pessoa de Meia-Idade , Psicometria/instrumentação , Psicometria/métodos , Psicoterapia/métodos , Psicoterapia/normas , Psicoterapia/estatística & dados numéricos , Psicoterapia de Grupo/métodos , Psicoterapia de Grupo/estatística & dados numéricos , Neoplasias Gástricas/terapia , Inquéritos e Questionários
6.
Virus Res ; 306: 198566, 2021 Sep 25.
Artigo em Inglês | MEDLINE | ID: mdl-34582833

RESUMO

Coronavirus disease 2019 (COVID-19), caused by Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), was first reported in Wuhan, China, and rapidly spread throughout the world. This newly emerging pathogen is highly transmittable and can cause fatal disease. More than 35 million cases have been confirmed, with a fatality rate of about 2.9% to October 9, 2020. However, the original and intermediate hosts of SARS-CoV-2 remain unknown. Here, 3160 poultry samples collected from 14 provinces of China between September and December 2019 were tested for SARS-CoV-2 infection. All the samples were SARS-CoV-2 negative, but 593 avian coronaviruses were detected, including 485 avian infectious bronchitis viruses, 72 duck coronaviruses, and 36 pigeon coronaviruses, with positivity rates of 15.35%, 2.28%, and 1.14%, respectively. Our surveillance demonstrates the diversity of avian coronaviruses in China, with higher prevalence rates in some regions. Furthermore, the possibility that SARS-CoV-2 originated from a known avian-origin coronavirus can be preliminarily ruled out. More surveillance of and research into avian coronaviruses are required to better understand the diversity, distribution, cross-species transmission, and clinical significance of these viruses.

7.
Sleep Breath ; 2021 Sep 26.
Artigo em Inglês | MEDLINE | ID: mdl-34564818

RESUMO

PURPOSE: To evaluate the association of the different degrees of insomnia symptoms with subsequent incidence of type 2 diabetes mellitus (T2DM). METHODS: The data were extracted from Health and Retirement Study 2006-2014 waves. The association of insomnia symptoms with T2DM incidence was evaluated by the competing risk model with cumulative incidence function (death was considered a competing event) and Cox proportional hazard model with the Kaplan-Meier method. Population attributable fraction (PAF) was calculated. All analyses related to our study were conducted between November 2020 and January 2021. RESULTS: A total of 14,112 patients were included in this study, with an average follow-up of 6.4 years, and the incidence density was 17.9 per 1000 person-years. Insomnia symptoms were positively associated with T2DM incidence compared with those with no insomnia symptoms, regardless of competing risk model (≥ 1 symptoms: sub-distribution hazard ratio (SHR) 1.13; 95% confidence interval (CI) 1.02-1.26; P-trend = 0.012) and Cox proportional hazard model (≥ 1 symptoms: hazard ratio (HR) 1.13; 95% CI 1.02-1.26; P-trend = 0.013). The cumulative incidence function (Gray's test, p < 0.001) and Kaplan-Meier estimate (log-rank test, p < 0.001) also presented this positive relationship. This positive association was more apparent in women and participants with ages from 50 to 65 years. The PAF was 4.1% with 95% CI (0.7-7.9%). CONCLUSIONS: Insomnia symptoms may be an important risk factor for the development of T2DM, which is unbiased by the death competing risk. These findings suggest that management of sleep problems may be an important part of strategies to prevent T2DM.

8.
Expert Opin Drug Metab Toxicol ; 17(9): 1149-1156, 2021 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-34372746

RESUMO

PURPOSE: To compare the pharmacokinetics, pharmacodynamics and safety of the new prolonged-release leuprorelin acetate microspheres for injection (3.75 mg) with the reference product Enantone® (3.75 mg). METHOD: 48 healthy male volunteers were enrolled and randomly received a single 3.75 mg dose of the test drug or Enantone®. RESULTS: There were no significant differences in Cmax, AUC0-t and AUC0-48 between the test group and reference group (P > 0.05). The 90% confidence intervals of the two groups were 87.49%~112.74%, 97.15%~154.25%, and 80.85%~109.01%, respectively. Twenty-eight days after administration, both groups reached 100.0% castration level; there was no difference in the time from administration to reaching castration level between the two groups (P > 0.05); However, the difference between the two groups in the duration of castration level was statistically significant (P < 0.05). There were no major or serious adverse events, and the severity was mild to moderate. CONCLUSION: The pharmacokinetic characteristics of leuprorelin in two groups were consistent. The two groups exhibited similar inhibitory effects on testosterone and more subjects in the test group maintained a longer castration time than those in the reference group.


Assuntos
Antineoplásicos Hormonais/administração & dosagem , Leuprolida/administração & dosagem , Testosterona/sangue , Adulto , Antineoplásicos Hormonais/farmacocinética , Antineoplásicos Hormonais/farmacologia , Área Sob a Curva , Preparações de Ação Retardada , Humanos , Injeções , Leuprolida/farmacocinética , Leuprolida/farmacologia , Masculino , Microesferas , Método Simples-Cego , Fatores de Tempo , Adulto Jovem
9.
J Org Chem ; 2021 Jul 19.
Artigo em Inglês | MEDLINE | ID: mdl-34279110

RESUMO

We have designed and synthesized three novel twistacene-modified enlarged pentagon-containing π-systems (6 and 9) with mismatched structures. The introduction of electron-withdrawing cyclopenta rings in the parent skeleton effectively stabilizes the electron-rich arenes. Their optoelectronic properties were studied via ultraviolet-visible (UV-vis) absorption spectra, fluorescence spectra, cyclic voltammetry, and density functional theory (DFT) calculation. In addition, chemical oxidation of the as-prepared compounds with nitrosonium hexafluoroantimonate could form the corresponding cationic radicals.

10.
Virus Genes ; 57(5): 453-458, 2021 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-34312741

RESUMO

In this study, we developed a real-time quantitative polymerase chain reaction (qPCR) assay based on a dual-labeled hydrolysis probe to simultaneously detect both duck circovirus (DuCV) 1 and DuCV-2. The reproducibility, sensitivity and specificity of the primer set and probe were evaluated using other duck pathogens. The detection limit was 20 copies per µL. The intra-assay coefficients of variation (CVs) were ≤ 0.73% and the inter-assay CVs were ≤ 1.89%. No cross-reaction occurred with other duck pathogens. In addition, the qPCR assay was successfully applied to the simultaneous detection of DuCV-1 and DuCV-2 in clinical field samples. Therefore, this assay will be useful for laboratory diagnosis and epidemiological field studies of DuCV.


Assuntos
Infecções por Circoviridae/diagnóstico , Circovirus/isolamento & purificação , Reação em Cadeia da Polimerase , Doenças das Aves Domésticas/diagnóstico , Animais , Infecções por Circoviridae/genética , Infecções por Circoviridae/virologia , Circovirus/genética , Circovirus/patogenicidade , DNA Viral/genética , Genótipo , Hidrólise , Doenças das Aves Domésticas/genética , Doenças das Aves Domésticas/virologia , Reação em Cadeia da Polimerase em Tempo Real
11.
Inorg Chem ; 2021 Jul 26.
Artigo em Inglês | MEDLINE | ID: mdl-34310118

RESUMO

Transition-metal phosphides and sulfides are considered as promising cocatalysts for the photocatalytic hydrogen evolution reaction (HER), and the cocatalytic effect can be improved by directed heterostructure engineering. In this study, a novel lattice-matched CoP/CoS2 heterostructure having a nanosheet morphology was developed as an HER cocatalyst and integrated in situ onto graphitic carbon nitride (g-C3N4) nanosheets via a successive phosphorization and vulcanization route. First-principles density functional theory calculations evidenced that the construction of the lattice-matched CoP/CoS2 heterostructure resulted in the redistribution of interface electrons, enhanced metallic characteristics, and improved H* adsorption. As a result of these effects, the CoP/CoS2 heterostructure cocatalyst formed a 2D/2D Schottky junction with the g-C3N4 nanosheets, thus promoting photoelectron transfer to CoP/CoS2 and realizing fast charge-carrier separation and good HER activity. As expected, the CoP/CoS2 heterostructure exhibited excellent cocatalytic activity, and the optimal loading of the cocatalyst on g-C3N4 enhanced its HER activity to 3.78 mmol g-1 h-1. This work furnishes a new perspective for the development of highly active noble-metal-free cocatalysts via heterostructure engineering for water splitting applications.

12.
Artigo em Inglês | MEDLINE | ID: mdl-34214209

RESUMO

OBJECTIVES: We aimed to examine whether loneliness mediates these associations between perceived neighborhood characteristics and cognition among middle-aged and older adults. METHODS: Data from wave 10 (2010-2012) to wave 13 (2016-2017) of the Health and Retirement Study were analyzed. Perceived neighborhood characteristics were self-reported. Loneliness was measured by Revised University of California Los Angeles (R-UCLA) Loneliness Scale. Cognition was evaluated by the modified version of Telephone Interview for Cognitive Status. Baron and Kenny's causal steps and multiple linear regression models based on Karlson/Holm/Breen (KHB) method were used to examine the mediating effect. RESULTS: At baseline, 15,142 participants had no cognitive impairment, and 11,413 individuals were finally included in our analysis after 6-year follow-up. Multiple linear regression models suggested that lower perceived neighborhood physical disorder (ß = 0.073, p = 0.033) and greater perceived neighborhood safety (ß = 0.350, p = 0.009) were associated with better cognition. KHB test identified the significant mediating effect of loneliness on the relationships between perceived neighborhood physical disorder (ß = 0.011, p = 0.016) and perceived neighborhood safety (ß = 0.023, p = 0.026) and cognition. CONCLUSIONS: Perceived neighborhood characteristics are associated with cognition among middle-aged and older American adults. Loneliness mediated associations between perceived neighborhood physical disorder and perceived neighborhood safety and cognition.

13.
Front Endocrinol (Lausanne) ; 12: 675643, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34322091

RESUMO

Background: Bilateral lesions are common in papillary thyroid carcinoma (PTC). For patients with unilateral PTC, occult carcinoma that is not detected preoperatively, but pathologically after surgery, might remain in the contralateral lobe. In this situation, inadequate surgical extent could cause relapse and even lead to re-operation. Here, we explore the frequency and investigate the risk factors of contralateral occult PTC in unilateral PTC through a retrospective study conducted by our team and published articles online, respectively. Methods: We collected the patients' clinical data in our hospital, whose cancer was determined to be confined to the unilateral lobe by preoperative image examination (N = 204). These patients underwent initially total or near-total thyroidectomy and included their clinical data in the meta-analysis. We searched related literature in the PubMed, Embase, MEDLINE, Cochrane, and Web of Science databases until December 7, 2020, in order to perform a meta-analysis. The relevant articles were examined and the eligible studies were included to assess the association between clinicopathologic factors and contralateral occult PTC. Results: The meta-analysis included nine studies (involving 4347 patients). Of these, eight studies were from the databases, and one study was our retrospective data. The meta-analysis showed that the prevalence of contralateral occult PTC was 26.6% in all patients. A tumor size > 1 cm, ipsilateral multifocality, contralateral benign nodule, and central lymph node metastasis were significantly associated with contralateral occult PTC. In contrast, sex, age, ETE, capsular invasion, BRAF mutation, Hashimoto thyroiditis, and lateral lymph node metastasis were insignificantly associated with contralateral occult PTC. Conclusion: The meta-analysis identified a tumor size > 1 cm, ipsilateral multifocality, contralateral benign nodule, and CLNM as being significant risk factors for contralateral occult PTC. These findings may guide the extent of surgery in unilateral PTC patients.

15.
Gynecol Endocrinol ; 37(8): 758-763, 2021 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-34060431

RESUMO

OBJECTIVE: To assess the cross-sectional association between oral contraceptive (OC) use and type 2 diabetes mellitus (T2DM) risk among US women. METHODS: The data was obtained from the National Health and Nutrition Examination Survey (NHANES 2007-2018). OC use was assessed by questionnaires and the diagnosis of T2DM was confirmed by the glycosylated hemoglobin, fasting blood glucose, and self-report. Binary logistic regression models and the restricted cubic spline model were adopted to evaluate whether OC use was associated with T2DM. RESULTS: Compared with non-users, the odds ratio (OR) with 95% confidence interval (CI) of T2DM risk for the OC users was 0.71 (0.57-0.89) in unadjusted Model. The association remained significant in fully adjusted models, and the OR with 95%CI was 0.78 (0.62-0.99). In the stratified analyses, there was an inverse association of OC use with T2DM risk when women were overweight. Dose-response analysis also revealed an inversely nonlinear relationship between the duration of OC use and T2DM (p-value for linearity = .589). CONCLUSIONS: Our findings suggested that OC use may be inversely associated with T2DM risk.

16.
J Bioenerg Biomembr ; 53(4): 441-448, 2021 08.
Artigo em Inglês | MEDLINE | ID: mdl-33973103

RESUMO

Hypoxia can promote the progression and metastasis of ovarian cancer, while the underlying mechanisms are still unclear. Hypoxia culture or CoCl2 induced-oxygen deprivation condition could promote SKOV3 cells to express cyclooxygenase-2 (COX2). Luciferase assay indicates that hypoxia-inducible factor 1α (HIF1α) could bind directly with the promoter region of COX2 to promote the transcription. COX2 over-expressed SKOV3 cells show up-regulated stemness-related markers expression, proinflammatory gene expression, and increased tumor sphere formation. The inflammatory molecules (interleukin-6, C-X-C motif chemokine ligand 12, interleukin-1B, interleukin-10, and C-C motif chemokine ligand 2) and COX2 expression show positive correlations in the Cancer Genome Atlas data. COX2 over-expression could promote SKOV3 cell proliferation in the subcutaneous tumor model and metastasis in the transfer model. In conclusion, hypoxia-induced HIF-1α mediated COX2 expression could promote the proliferation, inflammation, and metastasis of ovarian cancer.

17.
Mol Neurobiol ; 58(9): 4237-4250, 2021 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-33966253

RESUMO

Maternal subclinical hypothyroidism (SCH) during pregnancy can adversely affect the neurodevelopment of the offspring. The balance of nerve growth factor (NGF)-related tropomyosin receptor kinase A/p75 neurotrophin receptor (TrkA/p75NTR) signaling in the hippocampus is important in brain development, and whether it affects cognitive function in maternal SCH's offspring is not clear. In this study, we found that compared with the control (CON) group, expression of proliferation-related proteins [NGF, p-TrkA, phospho-extracellular signal-regulated kinase 1/2 (p-ERK1/2) and phospho-cAMP response element-binding protein (p-CREB)] decreased in the hippocampus of the offspring in the SCH group, overt hypothyroidism (OHT) group, and the group with levothyroxine (L-T4) treatment for SCH from gestational day 17 (E17). In contrast, expression of apoptosis-related proteins [pro-NGF, p75NTR, phospho-C-Jun N-terminal kinase (p-JNK), p53, Bax and cleaved caspase-3] was increased. The two groups with treatment with L-T4 for SCH from E10 and E13, respectively, showed no significant difference compared with the CON group. L-T4 treatment enhanced relative expression of NGF by increasing NGF/proNGF ratio in offspring from maternal SCH rats. In conclusion, L-T4 treatment for SCH from early pregnancy dramatically ameliorated cognitive impairment via TrkA/p75NTR signaling, which involved activation of the neuronal proliferation and inhibition of neuronal apoptosis in SCH rats' offspring.

18.
Phys Rev Lett ; 126(15): 155701, 2021 Apr 16.
Artigo em Inglês | MEDLINE | ID: mdl-33929239

RESUMO

The layered crystal of EuSn_{2}As_{2} has a Bi_{2}Te_{3}-type structure in rhombohedral (R3[over ¯]m) symmetry and has been confirmed to be an intrinsic magnetic topological insulator at ambient conditions. Combining ab initio calculations and in situ x-ray diffraction measurements, we identify a new monoclinic EuSn_{2}As_{2} structure in C2/m symmetry above ∼14 GPa. It has a three-dimensional network made up of honeycomblike Sn sheets and zigzag As chains, transformed from the layered EuSn_{2}As_{2} via a two-stage reconstruction mechanism with the connecting of Sn-Sn and As-As atoms successively between the buckled SnAs layers. Its dynamic structural stability has been verified by phonon mode analysis. Electrical resistance measurements reveal an insulator-metal-superconductor transition at low temperature around 5 and 15 GPa, respectively, according to the structural conversion, and the superconductivity with a T_{C} value of ∼4 K is observed up to 30.8 GPa. These results establish a high-pressure EuSn_{2}As_{2} phase with intriguing structural and electronic properties and expand our understandings about the layered magnetic topological insulators.

19.
Nano Lett ; 21(6): 2476-2486, 2021 03 24.
Artigo em Inglês | MEDLINE | ID: mdl-33683126

RESUMO

Epstein-Barr virus (EBV) infection is a global health concern infecting over 90% of the population. However, there is no currently available vaccine. EBV primarily infects B cells, where the major glycoprotein 350 (gp350) is the main target of neutralizing antibodies. Given the advancement of nanoparticle vaccines, we describe rationally designed vaccine modalities presenting 60 copies of gp350 on self-assembled nanoparticles in a repetitive array. In a mouse model, gp350s on lumazine synthase (LS) and I3-01 adjuvanted with MF59 or aluminum hydroxide (Alhydrogel) elicited over 65- to 133-fold higher neutralizing antibody titers than the corresponding gp350 monomer to EBV. Furthermore, immunization with gp350D123-LS and gp350D123-I3-01 vaccine induced a Th2-biased response. For the nonhuman primate model, gp350D123-LS in MF59 elicited higher titers of total IgG and neutralizing antibodies than the monomeric gp350D123. Overall, these results support gp350D123-based nanoparticle vaccine design as a promising vaccine candidate for potent protection against EBV infection.


Assuntos
Infecções por Vírus Epstein-Barr , Nanopartículas , Vacinas , Animais , Anticorpos Neutralizantes , Anticorpos Antivirais , Infecções por Vírus Epstein-Barr/prevenção & controle , Herpesvirus Humano 4 , Imunização , Camundongos
20.
J Colloid Interface Sci ; 593: 133-141, 2021 Mar 09.
Artigo em Inglês | MEDLINE | ID: mdl-33744524

RESUMO

The oxide-based hybrid photocatalysts, especially TiO2-based, have attracted tremendous attentions because of their prominent photocatalytic performance. Currently, theoretical understandings on the relationship between the interface of TiO2-based heterostructures and their photocatalytic activity are still lacking. Here we systematically investigated the effects of interface structure on electronic properties of the g-C3N4/TiO2 heterostructure using density functional theory (DFT) calculation. The interaction between monolayer g-C3N4 and TiO2 surface [with Anatase (101)/(001) facet] was explored, where a van der Waals heterojunction is formed. The presence of oxygen vacancy, nitrogen doping and hydrogen passivation on TiO2 surface is found to dramatically alter the electronic properties of g-C3N4/TiO2 heterostructure. Furthermore, the enhanced separation of electron - hole pairs and inhibited carrier recombination in the g-C3N4/TiO2 interface was analyzed based on the Bader charge analysis and charge density difference. The theoretical analysis revealed that oxygen vacancy and hydrogen passivation on TiO2 A001 surface induces the more significant charge separation, which may be the origin of enhanced photocatalytic efficiency of the g-C3N4/TiO2 heterostructures.

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